N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H23N5O2 — CID 56742868

IUPACN-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)C1=NOC(C(=O)N(C)Cc2nncn2C(C)C)C1
InChIInChI=1S/C14H23N5O2/c1-9(2)11-6-12(21-17-11)14(20)18(5)7-13-16-15-8-19(13)10(3)4/h8-10,12H,6-7H2,1-5H3
InChIKeyJFBUJMQDOGZOCT-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.62
Rot. Bonds5

About N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 56742868) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID56742868
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)C1=NOC(C(=O)N(C)Cc2nncn2C(C)C)C1
InChIInChI=1S/C14H23N5O2/c1-9(2)11-6-12(21-17-11)14(20)18(5)7-13-16-15-8-19(13)10(3)4/h8-10,12H,6-7H2,1-5H3
InChIKeyJFBUJMQDOGZOCT-UHFFFAOYSA-N
XLogP1.62
TPSA72.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[(3-ethyl-4,5-dihydroisoxazol-5-yl)carbonyl]-4-(4H-1,2,4-triazol-3-yl)piperidine
CID 90647695
1-[(3-isopropyl-4,5-dihydroisoxazol-5-yl)carbonyl]-4-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperazine
CID 56743115
2-hydroxy-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N,4-dimethylpentanamide
CID 70760452
(5S)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95199587
(5R)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95199588
[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 95199938
[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 95199939
(2S)-2-hydroxy-N,4-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide
CID 96400896
(2R)-2-hydroxy-N,4-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide
CID 96400897
[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 100014212
[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 100014216
N-[2-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]-3,5-dimethyl-4,5-dihydroisoxazole-5-carboxamide
CID 118784686

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 56742868) is N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(C)C1=NOC(C(=O)N(C)Cc2nncn2C(C)C)C1.
What is the InChIKey of N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is JFBUJMQDOGZOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-9(2)11-6-12(21-17-11)14(20)18(5)7-13-16-15-8-19(13)10(3)4/h8-10,12H,6-7H2,1-5H3.
What are the key properties of N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 56742868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).